6-Amino-5-[[4-[(2-Bromo-1-Oxoallyl)Amino]-2-[(4-Methyl-3-Sulphophenyl)Sulphonyl]Phenyl]Azo]Naphthalene-2-Sulphonic Acid
[CAS# 52683-87-1]

Identification

• Name: 6-Amino-5-[[4-[(2-Bromo-1-Oxoallyl)Amino]-2-[(4-Methyl-3-Sulphophenyl)Sulphonyl]Phenyl]Azo]Naphthalene-2-Sulphonic Acid
• Synonyms: 6-Amino-5-[4-(2-Bromoprop-2-Enoylamino)-2-(4-Methyl-3-Sulfo-Phenyl)Sulfonyl-Phenyl]Azo-Naphthalene-2-Sulfonic Acid; 6-Amino-5-[4-[(2-Bromo-1-Oxoprop-2-Enyl)Amino]-2-(4-Methyl-3-Sulfophenyl)Sulfonylphenyl]Azo-2-Naphthalenesulfonic Acid; 6-Amino-5-[4-[(2-Bromoacryloyl)Amino]-2-(4-Methyl-3-Sulfo-Phenyl)Sulfonyl-Phenyl]Azo-Naphthalene-2-Sulfonic Acid
• Molecular Formula: C₂₆H₂₁BrN₄O₉S₃
• Molecular Weight: 709.56
• CAS Registry Number: 52683-87-1
• EINECS: 258-099-3
• SMILES: C1=C([S](O)(=O)=O)C(=CC=C1[S](=O)(=O)C2=CC(=CC=C2N=NC3=C(N)C=CC4=CC(=CC=C34)[S](O)(=O)=O)NC(=O)C(Br)=C)C
• InChI: 1S/C26H21BrN4O9S3/c1-14-3-6-18(13-23(14)43(38,39)40)41(33,34)24-12-17(29-26(32)15(2)27)5-10-22(24)30-31-25-20-8-7-19(42(35,36)37)11-16(20)4-9-21(25)28/h3-13H,2,28H2,1H3,(H,29,32)(H,35,36,37)(H,38,39,40)
• InChIKey: HHHVICDYYBLIAG-UHFFFAOYSA-N

Properties

• Density: 1.728g/cm³ (Cal.)